Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 16 entry = 50012426   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50118703 (CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...) Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...				J Med Chem 45: 4395-7 (2002) BindingDB Entry DOI: 10.7270/Q20001FV
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50118702 (2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...) Show SMILES COc1ccc(OC)c(c1)C(O)CN Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...				J Med Chem 45: 4395-7 (2002) BindingDB Entry DOI: 10.7270/Q20001FV
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...				J Med Chem 45: 4395-7 (2002) BindingDB Entry DOI: 10.7270/Q20001FV
					More data for this Ligand-Target Pair